1-Benzyl-1-(2-cyanoethyl)-3-phenylurea
TL;DR: 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea (CAS 309924-69-4) is a chemical compound with molecular formula C17H17N3O and molecular weight 279.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-(2-cyanoethyl)-3-phenylurea
Also Known As: Maybridge4_001276, 1-benzyl-1-(2-cyanoethyl)-3-phenylurea, N-benzyl-N-(2-cyanoethyl)-N'-phenylurea, IDI1_031858, 3-(1-Benzyl-3-phenylureido)propiononitrile
| Molecular Formula | C17H17N3O |
|---|---|
| Molecular Weight | 279.14 g/mol |
| LogP | 3.63438 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.13718 |
| Heavy Atoms | 21 |
| Complexity | 604.93726 |
Chemical Identifiers
| CAS Number | 309924-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC#N)C(=O)NC2=CC=CC=C2 |
Product Overview
1-Benzyl-1-(2-cyanoethyl)-3-phenylurea (CAS 309924-69-4), with molecular formula C17H17N3O and molecular weight 279.14 g/mol. IUPAC: 1-benzyl-1-(2-cyanoethyl)-3-phenylurea.
Chemical Property Profile of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea
Property Insights of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea
The XLogP value of 3.63438 indicates that 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea?
The CAS number of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea is 309924-69-4.
What is the molecular formula of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea?
The molecular formula of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea is C17H17N3O.
What is the molecular weight of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea?
The molecular weight of 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea is 279.14 g/mol.
Where can I buy 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea?
You can request a quote for 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1-(2-cyanoethyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.